4-(2-pyridin-2-ylphenyl)benzaldehyde

C18H13NO — CID 102296508

IUPAC4-(2-pyridin-2-ylphenyl)benzaldehyde
SMILESO=Cc1ccc(-c2ccccc2-c2ccccn2)cc1
InChIInChI=1S/C18H13NO/c20-13-14-8-10-15(11-9-14)16-5-1-2-6-17(16)18-7-3-4-12-19-18/h1-13H
InChIKeyUDZLACVBBVITRO-UHFFFAOYSA-N
MW259.31 g/mol
LogP4.23
Rot. Bonds3

About 4-(2-pyridin-2-ylphenyl)benzaldehyde

4-(2-pyridin-2-ylphenyl)benzaldehyde (PubChem CID 102296508) has the molecular formula C18H13NO and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-(2-pyridin-2-ylphenyl)benzaldehyde.

Molecular Properties

Compound Name4-(2-pyridin-2-ylphenyl)benzaldehyde
PubChem CID102296508
Molecular FormulaC18H13NO
Molecular Weight259.31 g/mol
Exact Mass259.10
IUPAC Name4-(2-pyridin-2-ylphenyl)benzaldehyde
SMILESO=Cc1ccc(-c2ccccc2-c2ccccn2)cc1
InChIInChI=1S/C18H13NO/c20-13-14-8-10-15(11-9-14)16-5-1-2-6-17(16)18-7-3-4-12-19-18/h1-13H
InChIKeyUDZLACVBBVITRO-UHFFFAOYSA-N
XLogP4.23
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

Perampanel
CID 9924495
4-Benzoylpyridine
CID 26731
2-Benzoylpyridine
CID 7038
2-(Pyridin-2-yl)-1H-indene-1,3(2H)-dione
CID 238065
4-Quinolinecarboxaldehyde
CID 78072
8-Quinolinecarboxaldehyde
CID 170103
2-Phenyl-1-(pyridin-2-yl)ethan-1-one
CID 256073
1-Phenyl-2-(4-pyridinyl)ethanone
CID 287104
2-(3-Pyridylmethylene)-1-indanone
CID 5476631
(e)-2-(Pyridin-2-ylmethylene)-2,3-dihydro-1h-inden-1-one
CID 6526506
N-(4-tert-butylphenyl)-4-(pyridin-2-yl)benzamide
CID 11472986
5-Pyridin-3-yl-2,3-dihydro-1H-inden-1-one
CID 18407230

Frequently Asked Questions

What is the IUPAC name of 4-(2-pyridin-2-ylphenyl)benzaldehyde?
The IUPAC name of 4-(2-pyridin-2-ylphenyl)benzaldehyde (CID 102296508) is 4-(2-pyridin-2-ylphenyl)benzaldehyde.
What is the SMILES notation for 4-(2-pyridin-2-ylphenyl)benzaldehyde?
The canonical SMILES for 4-(2-pyridin-2-ylphenyl)benzaldehyde is O=Cc1ccc(-c2ccccc2-c2ccccn2)cc1.
What is the InChIKey of 4-(2-pyridin-2-ylphenyl)benzaldehyde?
The InChIKey is UDZLACVBBVITRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO/c20-13-14-8-10-15(11-9-14)16-5-1-2-6-17(16)18-7-3-4-12-19-18/h1-13H.
What are the key properties of 4-(2-pyridin-2-ylphenyl)benzaldehyde?
4-(2-pyridin-2-ylphenyl)benzaldehyde has a molecular weight of 259.31 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyridin-2-ylphenyl)benzaldehyde is sourced from PubChem (CID 102296508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).